12-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione

Systemtic Name: 12-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione Openeye Name: 12-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione CAS Name: 12-(3,5-ditert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione IUPAC Name: 12-(3,5-ditert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione Traditional Name: 12-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-quinone Formula: C26H40O9 MolecularWeight: 496.5904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2

InChI

InChI=1S/C26H40O9/c1-25(2,3)19-13-18(14-20(24(19)29)26(4,5)6)21-15-35-23(28)17-32-8-7-31-16-22(27)34-12-10-30-9-11-33-21/h13-14,21,29H,7-12,15-17H2,1-6H3